MedKoo Cat#: 145588 | Name: Myricerone

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Myricerone is a basil compound.

Chemical Structure

Myricerone
Myricerone
CAS#145039-10-7

Theoretical Analysis

MedKoo Cat#: 145588

Name: Myricerone

CAS#: 145039-10-7

Chemical Formula: C30H46O4

Exact Mass: 470.3400

Molecular Weight: 470.69

Elemental Analysis: C, 76.55; H, 9.85; O, 13.60

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Myricerone;
IUPAC/Chemical Name
(4aS,6aR,6bR,8aR,12aR,12bR,14bS)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
InChi Key
WVGVTIMZQLYBLX-SXOOSYOQSA-N
InChi Code
1S/C30H46O4/c1-25(2)13-14-29(24(33)34)15-16-30(18-31)19(20(29)17-25)7-8-22-27(5)11-10-23(32)26(3,4)21(27)9-12-28(22,30)6/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,27-,28+,29-,30-/m0/s1
SMILES Code
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(CO)C2=CC[C@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 470.69 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Maguire JJ, Bacon CR, Fujimoto M, Davenport AP. Myricerone caffeoyl ester (50-235) is a non-peptide antagonist selective for human ETA receptors. J Hypertens. 1994 Jun;12(6):675-80. PMID: 7963492. 2: Singh V, Mujwar S, Singh M, Singh T, Ahmad SF. Computational Studies to Understand the Neuroprotective Mechanism of Action Basil Compounds. Molecules. 2023 Oct 10;28(20):7005. doi: 10.3390/molecules28207005. PMID: 37894484; PMCID: PMC10609097. 3: Mihara S, Nakajima S, Matumura S, Kohnoike T, Fujimoto M. Pharmacological characterization of a potent nonpeptide endothelin receptor antagonist, 97-139. J Pharmacol Exp Ther. 1994 Mar;268(3):1122-8. PMID: 8138925. 4: Iwasaki T, Hayasaki-Kajiwara Y, Shimamura T, Naya N, Nakajima M. Endothelin receptor subtype antagonist activity of S-0139 in various isolated rabbit and canine arteries. Eur J Pharmacol. 2000 Jul 21;400(2-3):255-62. doi: 10.1016/s0014-2999(00)00417-9. PMID: 10988342. 5: Mihara S, Sakurai K, Nakamura M, Konoike T, Fujimoto M. Structure-activity relationships of an endothelin ETA receptor antagonist, 50-235, and its derivatives. Eur J Pharmacol. 1993 Oct 15;247(2):219-21. doi: 10.1016/0922-4106(93)90081-j. PMID: 8282010. 6: Mihara S, Tozawa F, Itazaki K, Fujimoto M. Binding characterization of [3H]S-0139, an antagonist of the endothelin ET(A) receptor subtype. Eur J Pharmacol. 1998 Jan 26;342(2-3):319-24. doi: 10.1016/s0014-2999(97)01479-9. PMID: 9548403. 7: Mihara S, Fujimoto M. The endothelin ETA receptor-specific effect of 50-235, a nonpeptide endothelin antagonist. Eur J Pharmacol. 1993 Jun 15;246(1):33-8. doi: 10.1016/0922-4106(93)90006-u. PMID: 8354341.